Transition-state optimization by the free energy gradient method: Application to aqueous-phase Menshutkin reaction between ammonia and methyl chloride

Chemical Physics Letters

Volumn 348, Issue 3-4, 2001, Pages 350-356

  Hirao, Hajime ^a   Nagae, Yukihiko ^a   Nagaoka, Masataka ^a  

^a NAGOYA UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0012921377     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(01)01131-9     Document Type: Article

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